1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one
TL;DR: 1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one (CAS 20972-36-5) is a chemical compound with molecular formula C9H12IN2O8P and molecular weight 433.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Also Known As: Iododeoxyuridylate, 5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 2'-deoxy-5-iodouridine 5'-(dihydrogen phosphate), 1-(2-Deoxy-5-O-phosphono-D-erythro-pentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one, 1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one
| Molecular Formula | C9H12IN2O8P |
|---|---|
| Molecular Weight | 433.94 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.9376 |
| Heavy Atoms | 21 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 20972-36-5 |
|---|---|
| SMILES | C1[C@@H]([C@H](OC1N2C=C(C(=O)NC2=O)I)COP(=O)(O)O)O |
| InChIKey | WXFYBFRZROJDLL-GFCOJPQKSA-N |
Product Overview
1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one (CAS 20972-36-5), with molecular formula C9H12IN2O8P and molecular weight 433.94 g/mol. IUPAC: [(2R,3S)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one
Property Insights of 1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one
The XLogP value of -2.6 indicates that 1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting 1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one?
The CAS number of 1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one is 20972-36-5.
What is the molecular formula of 1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one?
The molecular formula of 1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one is C9H12IN2O8P.
What is the molecular weight of 1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one?
The molecular weight of 1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one is 433.94 g/mol.
Where can I buy 1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one?
You can request a quote for 1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Deoxy-5-O-phosphonopentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.